Information card for entry 7119664

Structure parameters

• Common name: (SiHP2)Cu(CbztBu)
• Formula: C45 H64 Cu N P2 Si
• Calculated formula: C45 H64 Cu N P2 Si
• SMILES: [Cu]12(n3c4ccc(cc4c4cc(ccc34)C(C)(C)C)C(C)(C)C)[P](c3c([Si](C)(c4c([P]1(C(C)C)C(C)C)cccc4)[H]2)cccc3)(C(C)C)C(C)C
• Title of publication: σ-Complexation as a strategy for designing copper-based light emitters.
• Authors of publication: Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 2858 - 2861
• a: 12.3564 ± 0.0007 Å
• b: 17.9168 ± 0.001 Å
• c: 20.0188 ± 0.0011 Å
• α: 90°
• β: 105.379 ± 0.002°
• γ: 90°
• Cell volume: 4273.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No